DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:55 UTC
Update Date	2025-03-25 00:47:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164520
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₃O₆
Molecular Mass	289.1274
SMILES	CC(NCCC(=O)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	QLNUHXVDRCVQCU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboximides dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid fatty acid carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide secondary aliphatic amine secondary amine n-acyl-amine beta amino acid or derivatives carboxylic acid imide organic oxygen compound dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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